#!/usr/bin/env python
#    rsp_abslrs
#    -------
#    Molecule:         CH4
#    Wave Function:    HF
#    Test Purpose:     Response calculations (first order)with damping (absorption) 
#                      using the solver with symmetrized trial vectors)

import os
import sys

sys.path.append(os.path.join(os.path.dirname(__file__), '..'))
from runtest_dalton import Filter, TestRun

test = TestRun(__file__, sys.argv)

f = Filter()
f.add(string = 'Final HF energy:',
      rel_tolerance = 1.0e-8)

f.add(re = '[XYZ]DIPLEN   [XYZ]DIPLEN',
      rel_tolerance = 3.0e-4, ignore_below = 1.0e-3)

test.run(['rsp_abslrs.dal'], ['CH4_cc-pVDZ.mol'], f={'out': f})

sys.exit(test.return_code)
